CID 35792

1,3-dithiolane, 2-(2-thienyl)-

Structural Information

Molecular Formula
C7H8S3
SMILES
C1CSC(S1)C2=CC=CS2
InChI
InChI=1S/C7H8S3/c1-2-6(8-3-1)7-9-4-5-10-7/h1-3,7H,4-5H2
InChIKey
QSBDAIIMYXRMIJ-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

187.97882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98610 138.5
[M+Na]+ 210.96804 148.6
[M-H]- 186.97154 145.2
[M+NH4]+ 206.01264 162.5
[M+K]+ 226.94198 144.5
[M+H-H2O]+ 170.97608 134.6
[M+HCOO]- 232.97702 147.8
[M+CH3COO]- 246.99267 151.9
[M+Na-2H]- 208.95349 136.3
[M]+ 187.97827 138.0
[M]- 187.97937 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.